Article
Materials Science, Multidisciplinary
R. Boffy, L. Martel, R. Schweins, J. Somers, J. Beaucour, F. J. Bermejo
Summary: The internal structure of several alkali-borosilicate glasses when exposed to a high thermal neutron flux was studied, with different glasses showing varying resistance to irradiation. Experimental tools like Nuclear Magnetic Resonance (NMR) and Small Angle Neutron Scattering (SANS) were used for structural analysis, revealing the possibility of phase segregation in a zinc-alkali-borosilicate.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Materials Science, Ceramics
Zhixue Qu, Chuanjin Yu, Yitong Wei, Xiping Su, Aibing Du
Summary: This study quantitatively evaluated the contributions of various irradiation-induced defects in boron carbide and proposed a theoretical model without adjustable parameters based on phonon scattering theory. The model was validated using experimental data to predict the thermal conductivity variation under irradiation. Results suggest that substitutional defects and Frenkel defect pairs, rather than helium bubbles, play determining roles in the abrupt degradation of thermal conductivity during burnup.
JOURNAL OF ADVANCED CERAMICS
(2022)
Article
Chemistry, Inorganic & Nuclear
Tingting Xu, Endong Wang, Shuai Liu, Zhezhen Wei, Peiqun Yin, Jianan Sun, Wen Wu Xu, Yongbo Song
Summary: In this study, the structure-property relationships of ultra-small copper hydride (CuH) nanoclusters were investigated. The results showed that the CuH nanoclusters have a tetrahedral Cu4 core and a specific ligand structure, and their luminescence mainly originates from metal-to-ligand charge transfer and cluster-centered excited states. These findings provide new insights into understanding the structure-property relationship of CuH nanoclusters.
DALTON TRANSACTIONS
(2023)
Article
Materials Science, Coatings & Films
Wenjuan Gong, Huan Chen, Changyong Zhan, Peinan Du, Ruiqian Zhang, Yu Wang, Tianguo Wei, Hongyan Yang, Yu Zou, Jijun Yang
Summary: This study investigates the formation of voids in Cr coatings produced by arc ion plating under Au+ ion irradiation. The size and number of voids are found to be influenced by the (110)-oriented crystallinity, with void size decreasing and void number increasing as the crystallinity increases. Moreover, the voids in different coatings exhibit different depth profiles. The presence of voids impacts dislocation motion, resulting in radiation hardening and disordering in coatings with low (110)-oriented crystallinities but not in those with high (110)-oriented crystallinities, due to the small size of voids.
SURFACE & COATINGS TECHNOLOGY
(2021)
Article
Nuclear Science & Technology
A. Kara, A. Yilmaz, M. Yigit
Summary: Chromium material is commonly used for fusion plasma facing applications due to its low neutron activation property. The Monte Carlo method was used to investigate ion-target interactions in Chromium target irradiated by protons. GEANT4, SRIM, and TALYS 1.9 codes are effective tools for predicting radiation damage and cross section in proton irradiation on Chromium material.
NUCLEAR ENGINEERING AND TECHNOLOGY
(2021)
Article
Materials Science, Multidisciplinary
Siwei Zhang, Size Chen, Dan Xiao, Yong Zhang, Yongju Sun, Taosheng Li
Summary: This study proves the effectiveness of Tritium-Mg targets in improving neutron yield, with MgD2 targets exhibiting better thermal stability and neutron yield. However, the neutron yield with MgD2 targets is significantly attenuated due to irradiation damage.
Article
Materials Science, Multidisciplinary
Elchin M. Huseynov, Efsane A. Huseynova
Summary: The band structure of nanocrystalline anatase (TiO2) particles was investigated using FTIR spectroscopy before and after neutron irradiation. The changes in peak values and the appearance of new peaks in the infrared absorption spectra were explained, revealing the structural changes on the nanoparticle surface and the effects of neutron irradiation on the surface activity and crystalline structure of the nanocrystals.
Article
Chemistry, Multidisciplinary
Qingqing Zhang, Dingwen Shi, Mengqin Guo, Hao Zhao, Yanbing Zhao, Xiangliang Yang
Summary: Pyroptosis of tumor cells was induced by biGC@PNA with a precisely stoichiometric ratio of Au(I) ion/Au(0) atom through its radiofrequency (RF)-heating effect. The activated pyroptosis resulted in a robust immunogenic cell death (ICD) effect, enhancing the antitumor immune responses and suppressing tumor metastasis and relapse. The noninvasive RF field provides a promising strategy for improving cancer immunotherapy.
Article
Physics, Multidisciplinary
Miyuki Yajima, Yuji Hatano, Vladimir Kh Alimov, Takeshi Toyama, Tatsuya Kuwabara, Thomas Schwarz-Selinger, Yasuhisa Oya, Alexander Spitsyn, Noriyasu Ohno
Summary: The study focused on hydrogen isotope trapping at lattice defects in neutron-irradiated tungsten. Characterization of defects revealed the presence of dislocations, monovacancies, and relatively large vacancy clusters which trapped deuterium atoms with different values of binding energy. Dependence of deuterium retention on plasma exposure temperature and damage level was observed, showing that weaker traps with smaller binding energy increased more significantly with damage level.
Article
Materials Science, Coatings & Films
Renda Wang, Bingsheng Li, Peng Li, Xue Bai, Lijuan Hu, Qing Huang, Jian Xu, Feng Huang, Fangfang Ge
Summary: The Cr coatings deposited by magnetron sputtering on zirconium alloy substrates were irradiated by 5 MeV Xe20+ ions, leading to surface particle refining and hardening effects. The microstructure of the coatings remained intact after irradiation, exhibiting increased hardness and decreased indentation modulus. However, micro-cracks were observed near the indentation zones on the irradiated coatings, indicating some structural changes caused by the radiation.
SURFACE & COATINGS TECHNOLOGY
(2021)
Article
Chemistry, Physical
Timur Kulsartov, Zhanna Zaurbekova, Yevgen Chikhray, Inesh Kenzhina, Saulet Askerbekov, Asset Shaimerdenov, Assyl Akhanov, Magzhan Aitkulov, Meiram Begentayev
Summary: The operation of fusion reactors is based on the reaction between deuterium and tritium to produce helium and a neutron. Tritium needs to be produced in the facility itself as it is not common in nature. Lithium metatitanate Li2TiO3 is a promising material for use in the solid breeder blanket and has good tritium release parameters and thermal stability.
Article
Materials Science, Multidisciplinary
Takaaki Koyanagi, Xunxiang Hu, Christian M. Petrie, Gyanender Singh, Caen Ang, Christian P. Deck, Weon-Ju Kim, Daejong Kim, James Braun, Yutai Katoh
Summary: This study provides critical experimental data on the effects of irradiation on the hermeticity of SiC composite cladding, finding that irradiation can cause a decrease in hermeticity and cracking, and coating the outer surface can mitigate the cracking issue.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Physics, Applied
Dmitrii O. Kharchenko, Vasyl O. Kharchenko, Anna I. Bashtova, Viktor V. Kupriienko, Lu Wu
Summary: A phase field approach is used to study the stability, kinetic properties, and phase transformation processes of ss-Nb precipitates in Zr-Nb alloys. The competition between ballistic mixing and thermal diffusion governs the dissolution/growth processes of precipitates under different irradiation conditions. Misfit dislocations play a role in sustaining the existence of Nb-enriched domains of mixed symmetry, impacting the hardening change.
JOURNAL OF APPLIED PHYSICS
(2021)
Article
Nanoscience & Nanotechnology
Takaaki Koyanagi, David J. Sprouster, Lance L. Snead, Yutai Katoh
Summary: High-energy x-ray diffraction was used to investigate the irradiation-induced creep behavior of silicon carbide (SiC), revealing that stress-induced stacking disorder plays a key role in creep mechanism in neutron-irradiated SiC.
SCRIPTA MATERIALIA
(2021)
Article
Materials Science, Multidisciplinary
M. A. Oude Vrielink, V Shah, J. A. W. van Dommelen, M. G. D. Geers
Summary: By combining cluster dynamics model and crystal plasticity model, the mechanical behavior of irradiated high-purity tungsten under different conditions was successfully simulated, showing a good agreement with experimental data.
JOURNAL OF NUCLEAR MATERIALS
(2021)
Article
Physics, Condensed Matter
P. E. L'vov, S. Bulyarskiy, G. G. Gusarov, M. S. Molodenskiy, A. A. Pavlov, R. M. Ryazanov, A. A. Dudin, V. V. Svetukhin
JOURNAL OF PHYSICS-CONDENSED MATTER
(2020)
Article
Materials Science, Multidisciplinary
Pavel L'vov, Mikhail Tikhonchev
RESULTS IN PHYSICS
(2020)
Article
Chemistry, Multidisciplinary
Pavel E. L'vov, Alexander R. Umantsev
Summary: The researchers developed a phase-field method for simulating the crystallization of macromolecules from solutions, observing three steps in the transformation process and identifying a two-step nucleation thermodynamic criterion. They also found that at large values of the liquid interaction coefficient and moderate concentrations, the transformation scenario resembled amorphous phase formation.
CRYSTAL GROWTH & DESIGN
(2021)
Article
Materials Science, Multidisciplinary
P. E. L'vov, V. V. Svetukhin
Summary: This study investigates the radiation-induced phase transition in binary alloys using a modified Cahn-Hilliard equation. The displacement rate is found to affect the dynamics of various aspects of the second phase, and the mechanism of precipitate vanishing under irradiation is revealed.
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
(2021)
Article
Engineering, Electrical & Electronic
Pavel E. L'vov, Sergey V. Bulyarskiy, Alexander N. Saurov, Vyacheslav V. Svetukhin, Alexey I. Terentyev
Summary: This study investigates the electron beam deposition of cobalt on a silicon substrate, analyzing the temperature distribution and film growth rate. The results show that the film growth rate is limited by the flux of cobalt atoms on the film surface, in agreement with experimental data. Published exclusively by AVS.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B
(2021)
Article
Energy & Fuels
P. E. L'vov, M. Yu. Tikhonchev, R. T. Sibatov
Summary: A unified 3D phase-field model is developed for describing the lithium-ion cell, considering the realistic distribution of particles in electrodes, percolative transport of ions, and the difference in size of solute and solvent molecules. The model is based on the Cahn-Hilliard equation with spatially dependent interaction and dynamic parameters. It is applied to study the charging and discharging process in 3D lithium-ion cells with nanostructured electrodes, revealing some new phenomena that are not considered in commonly used models.
JOURNAL OF ENERGY STORAGE
(2022)
Article
Physics, Applied
Pavel E. L'vov, Renat T. Sibatov
Summary: The anisotropic phase-field model of grain boundary diffusion and precipitation of solute in nanocrystalline solids has been developed. The dynamics of solute concentration show anomalous diffusion behavior, and the parameters of grain boundary diffusion control the precipitation dynamics. Furthermore, transport properties determine the size distribution and kinetics of second phase particles.
JOURNAL OF APPLIED PHYSICS
(2022)
Article
Materials Science, Multidisciplinary
Pavel E. L'vov, Renat T. Sibatov, Vyacheslav V. Svetukhin
Summary: In this study, the phase-field model of grain boundary diffusion in polycrystalline materials is extended to account for diffusion anisotropy, different interaction parameters in grain boundary region and grain bulk, as well as concentration-dependant mobility. Numerical results show solute transport in plain parallel grains and polycrystalline medium with various directions of fastest (slowest) solute diffusion. The model predicts subdiffusive power-law dependence for propagation of the concentration profile.
MATERIALS TODAY COMMUNICATIONS
(2023)
Article
Chemistry, Physical
P. E. L'vov, S. V. Bulyarskiy
Summary: This study analyzes the dynamics of wetting and decay of an ultrathin liquid film on a rough substrate. The dependence of disjoining pressure on liquid film thickness is derived through numerical calculations for various substrate roughness parameters. The study shows that substrate roughness affects the wetting and decay process, leading to accelerated film rupture and the formation of detectable drops. The size distribution function of drops also changes with substrate roughness. These findings demonstrate the importance of substrate roughness on liquid film behavior.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Materials Science, Multidisciplinary
Mikhail Yu. Tikhonchev, Ruslan M. Meftakhutdinov, Pavel E. L'vov
Summary: In this study, the energy characteristics of symmetric tilt grain boundaries (GBs) E5(210) and E5(310) with the tilt axis [001], and boundaries E3(111) and E3(112) with the tilt axis [110], in a bcc random binary FeCr alloy were investigated using atomistic simulation. The simulation was based on DFT calculations and a two-band semi-empirical potential. The mixing enthalpy near the GBs was found to decrease compared to the ideal crystal, with DFT predicting a stronger decrease compared to semiempirical interaction estimates. The relationship between mixing enthalpy and energy in the alloy was revealed, and phase diagrams for the GB regions were constructed based on the obtained compositions.
JOURNAL OF NUCLEAR MATERIALS
(2023)
Article
Chemistry, Multidisciplinary
Renat T. Sibatov, Andrey I. Savitskiy, Pavel E. L'vov, Yulia O. Vasilevskaya, Evgeny P. Kitsyuk, Edward H. Lester
Summary: In this study, percolative memristive networks based on self-organized ensembles of silver and gold nanoparticles were synthesized and investigated. The switching between memristive and capacitive states, as well as the dynamics and plasticity of the networks, were studied. The resistance dynamics and filament dissolution process in the networks were analyzed using simplified stochastic and phase field models.
Article
Materials Science, Multidisciplinary
Aleksey I. Kochaev, Pavel E. L'vov
Summary: This study presents atomic-scale diffusion analysis in three orthogonal directions for low- and high-energy symmetric tilt grain boundaries in bcc iron. Through DFT calculations, energetically preferable configurations of point defects in the grain boundaries and surrounding atomic layers are determined, as well as the activation barriers for vacancy and self-interstitial hopping. The obtained values are refined with the temperature dependence of magnetization. The results show that the interstitial and combined interstitial-vacancy mechanisms agree with experimental data and provide insights into transport processes at relatively low temperatures.
Article
Metallurgy & Metallurgical Engineering
P. E. L'vov, V. V. Svetukhin
Summary: Based on the phase field theory, the features of second-phase precipitation in polycrystalline binary alloys were studied. The grain boundary mobility and wetting conditions have significant effects on the formation of the second phase.
PHYSICS OF METALS AND METALLOGRAPHY
(2022)
Article
Materials Science, Multidisciplinary
Alexander N. Saurov, Pavel E. L'vov, Sergey Bulyarskiy, Vyacheslav V. Svetukhin
Summary: The phase transformation process in a bi-metallic submonolayer film is studied using phase-field theory. The dynamics of the phase transformation are analyzed using the modified Cahn-Hilliard equation, taking into account degenerative mobility and compositional fluctuations. The study provides insights into different regimes of the phase transformation, which can be helpful for optimizing the synthesis of submonolayer films with desired morphology.
JOURNAL OF MATERIALS CHEMISTRY C
(2022)
Article
Mathematics, Interdisciplinary Applications
Pavel E. L'vov, Renat T. Sibatov, Igor O. Yavtushenko, Evgeny P. Kitsyuk
Summary: This paper calculates and analyzes the electrochemical impedance responses of subdiffusive phase transition materials in a one-dimensional cell with reflecting and absorbing boundary conditions. The study is based on the generalization of the diffusive Warburg impedance within the fractional phase field approach using the time-fractional Cahn-Hilliard equation. The impedance spectra derived in the model are applied to study the response of supercapacitors with polyaniline/carbon nanotube electrodes.
FRACTAL AND FRACTIONAL
(2021)
Article
Materials Science, Multidisciplinary
Liuming Wei, Jingwen Li, Yonggang Li, Qirong Zheng, Fan Cheng, Chuanguo Zhang, Jingyu Li, Gaofeng Zhao, Zhi Zeng
Summary: This study investigates the influence of He-V complexes on H behaviors on different W surfaces using DFT calculations. The results show that H dissolution is most difficult but H trapping is easiest on the W (110) surface, while the opposite is true on the W (111) surface. Moreover, the presence of He-V complexes increases the difficulty of H diffusion from bulk to surface and desorption.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Yan Meng, Song Zeng, Chen Chen, Chaowen Zhu, Huahai Shen, Xiaosong Zhou, Xiaochun Han
Summary: The characteristics of magnetron sputtered Cr coatings vary with different temperature, bias voltage, and pressure. Coatings with random orientation, good crystallinity, and small grain size exhibit favorable oxidation behavior, while coatings with strong (200) texture, poor crystallinity, and large grains have many intrinsic defects that are detrimental to the protection property of the Cr coatings.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Xinyuan Xu, Zefeng Yu, Wei-Ying Chen, Aiping Chen, Arthur Motta, Xing Wang
Summary: This study presents an automated approach for characterizing grain morphology in TEM images recorded during ion irradiation. By combining a machine learning model and a computer vision algorithm, comparable results to human analysis can be achieved with significantly reduced analysis time. Researchers can train their own models following the procedures described in this study to automate grain morphology analysis of their own TEM images.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Shihao Wu, Dong Wang, Yapei Zhang, Koji Okamoto, Marco Pellegrini, Wenxi Tian, Suizheng Qiu, G. H. Su
Summary: The oxidation and degradation mechanisms of Cr coating on Zr alloy cladding under high temperature steam atmosphere are summarized, and a mathematical analysis model is established to predict the changes in coating thickness. The model is applied in the analysis of structure evolution under different conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
V. Diaz-Mena, J. de Prado, M. Roldan, I. Izaguirre, M. Sanchez, M. Rieth, A. Urena
Summary: The brazeability of a cupronickel alloy was evaluated as a filler alloy for high-temperature joining of tungsten to steel. The study investigated the brazing conditions and the impact of the selected filler on the joint quality using numerical software. The results showed different metallurgical interactions and diffusion phenomena between the filler alloy and the base materials at different temperatures. The study emphasized the importance of selecting a suitable filler to mitigate residual stresses in the joints.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Pengcheng Zhu, Yajie Zhao, Yan-Ru Lin, Jean Henry, Steven J. Zinkle
Summary: This study investigates the effect of heavy-ion irradiation on radiation hardening in high-purity binary alloy Fe18Cr. Nanoindentation testing and high-quality TEM imaging were conducted to extract hardness and microstructure information. The strength factor was accurately calculated based on the detailed TEM characterization of irradiated microstructures, and a refined hardening superposition method was applied to quantify the mechanical properties of ion-irradiated materials.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Bin Wu, Haixia Ning, Hanzhen Zhu, Jianjun Chen, Kang Wang, Daiyu Zhang, Fu Wang, Qilong Liao
Summary: This study discusses the effects of ZrO2 and B2O3 on the phase composition and properties of SAP-based glass-ceramics. The results show that ZrO2 addition improves the formation of NZP phase while restricting the crystallization of AlPO4 phases. The correct ratios of ZrO2 and B2O3 allow only the formation of NZP phase within the SAP glass.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Hwasung Yeom, Greg Johnson, Benjamin Maier, Tyler Dabney, Kumar Sridharan
Summary: Cr-Nb bilayer coatings were developed using cold spray deposition to improve the limiting operational temperature of Cr-coated Zr-alloy system. The coatings exhibited outstanding oxidation resistance at high temperatures and formed continuous intermetallic compound layers at the interfaces.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Padhraic L. Mulligan, Andrew T. Nelson, Chad M. Parish, Patrick A. Champlin, Xiang Chen, Daniel Morrall, Jason M. Harp
Summary: Environmental barrier coatings are being developed to reduce oxidation and embrittlement in Zr-based materials. Chromium nitride is a candidate for this application, but understanding its impact on irradiation-induced creep and microstructure is critical.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Dexuan Yan, Xinlei Cao, Ke Shen
Summary: This study investigated the purification mechanism of polycrystalline graphite by comparing IG-11 graphite with IG-110 nuclear grade graphite. The analysis revealed that metallic impurities in IG-11 were primarily segregated within graphite porosities, while IG-110 demonstrated a significant reduction in impurities. This research contributes to the development of innovative graphite purification techniques for greater purity and stronger oxidation resistance.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Wei Xu, Wei Peng, Lei Shi, Qi Sun
Summary: This paper investigates the oxidation and shape evolution of matrix graphite in high temperature gas-cooled reactors during air-ingress accidents. A reaction kinetics model is established and computational fluid dynamics with a dynamic mesh method is used to simulate the oxidation process. The results show that the geometric shape of graphite changes significantly with increasing flow rate, and the graphite pebbles tend to form a structure with a narrow front and wide tail.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Allison Harward, Casey Elliott, Michael Shaltry, Krista Carlson, Tae-Sic Yoo, Guy Fredrickson, Michael Patterson, Michael F. Simpson
Summary: This paper investigates the hygroscopic properties of eutectic LiCl-KCl absorbed into zeolite-4A. The study finds that water absorption and corrosion worsen with increasing salt loading. It also suggests that the salt can be stored in a non-inert atmosphere for a certain period of time.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Takaaki Koyanagi, Xunxiang Hu, Christian M. Petrie, Gyanender Singh, Caen Ang, Christian P. Deck, Weon-Ju Kim, Daejong Kim, James Braun, Yutai Katoh
Summary: This study provides critical experimental data on the effects of irradiation on the hermeticity of SiC composite cladding, finding that irradiation can cause a decrease in hermeticity and cracking, and coating the outer surface can mitigate the cracking issue.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
S. Krat, A. Prishvitsyn, Yu. Gasparyan
Summary: This study proposes a probabilistic and diffusion-based model to describe the co-deposition of multiple hydrogen isotopes with slowly grown metal layers. The model calculates the relative concentrations of different hydrogen isotopes in the co-deposited metal layers. It is found that if hydrogen isotopes have different detrapping energies, only the isotope with the highest detrapping energy shows a monotonic decrease in concentration with deposition temperature. Furthermore, the study evaluates the uncertainty of tritium concentration in the co-deposited layer based on the uncertainty in detrapping energy of tritium and deuterium, predicting a >10% tritium concentration uncertainty for a 0.01 eV difference.
JOURNAL OF NUCLEAR MATERIALS
(2024)
Article
Materials Science, Multidisciplinary
Tijo Vazhappilly, Arup Kumar Pathak
Summary: This study investigates the effect of Ce atom substitution in UO2 on its thermophysical properties using density functional theory. The results show that the Ce substitution levels and the oxidation state of Ce/U atoms strongly influence the band structure and specific heat capacity of the UO2 lattice. These findings provide important insights into the fuel properties of UO2 under reactor conditions.
JOURNAL OF NUCLEAR MATERIALS
(2024)
